N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide

C44H46F6N8O4S2 — CID 158413982

IUPACN-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCSc1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2c1.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(S(C)(=O)=O)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C22H23F3N4O3S.C22H23F3N4OS/c1-13-9-14(3-6-17(13)21(30)28-15-4-5-15)19-11-27-20-18(26-8-7-22(23,24)25)10-16(12-29(19)20)33(2,31)32;1-13-9-14(3-6-17(13)21(30)28-15-4-5-15)19-11-27-20-18(26-8-7-22(23,24)25)10-16(31-2)12-29(19)20/h3,6,9-12,15,26H,4-5,7-8H2,1-2H3,(H,28,30);3,6,9-12,15,26H,4-5,7-8H2,1-2H3,(H,28,30)
InChIKeyGZQPTMRRYXQOGT-UHFFFAOYSA-N
MW929.03 g/mol
LogP9.26
Rot. Bonds14

About N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide

N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 158413982) has the molecular formula C44H46F6N8O4S2 and a molecular weight of 929.03 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID158413982
Molecular FormulaC44H46F6N8O4S2
Molecular Weight929.03 g/mol
Exact Mass928.30
IUPAC NameN-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCSc1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2c1.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(S(C)(=O)=O)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C22H23F3N4O3S.C22H23F3N4OS/c1-13-9-14(3-6-17(13)21(30)28-15-4-5-15)19-11-27-20-18(26-8-7-22(23,24)25)10-16(12-29(19)20)33(2,31)32;1-13-9-14(3-6-17(13)21(30)28-15-4-5-15)19-11-27-20-18(26-8-7-22(23,24)25)10-16(31-2)12-29(19)20/h3,6,9-12,15,26H,4-5,7-8H2,1-2H3,(H,28,30);3,6,9-12,15,26H,4-5,7-8H2,1-2H3,(H,28,30)
InChIKeyGZQPTMRRYXQOGT-UHFFFAOYSA-N
XLogP9.26
TPSA151.00 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500929.03
LogP ≤ 59.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(3-fluorophenyl)-3-[(1S,5R)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-4-methylsulfonylbenzamide
CID 52940645
4-[1-[2,4-dimethyl-5-(6-methylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile
CID 68289184
(RS) N-cyclopropyl-4-{6-[4-(cyclopropylsulfinyl)phenyl]-8-(isobutylamino)imidazo[1,2-a]pyrazin-3-yl}benzamide
CID 67973689
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-(methylsulfonyl)pyridin-2-yl)benzamide
CID 45268465
N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389730
(RS) N-cyclopropyl-4-{8-[S-methyl-N-(trifluoroacetyl)sulfonimidoyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl}benzamide
CID 53389842
N-Cyclopropyl-4-[8-(methylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389929
N-cyclopropyl-4-[6-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 54766249
N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57382081
3-cyclopropyl-N-(4-(methylsulfonyl)benzyl)-2-(4-(trifluoromethyl)benzyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 126556059
US10138241, Example 33
CID 134328591
US11078204, Ex. No. 3
CID 146544891

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 158413982) is N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is CSc1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2c1.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(S(C)(=O)=O)cn23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is GZQPTMRRYXQOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3S.C22H23F3N4OS/c1-13-9-14(3-6-17(13)21(30)28-15-4-5-15)19-11-27-20-18(26-8-7-22(23,24)25)10-16(12-29(19)20)33(2,31)32;1-13-9-14(3-6-17(13)21(30)28-15-4-5-15)19-11-27-20-18(26-8-7-22(23,24)25)10-16(31-2)12-29(19)20/h3,6,9-12,15,26H,4-5,7-8H2,1-2H3,(H,28,30);3,6,9-12,15,26H,4-5,7-8H2,1-2H3,(H,28,30).
What are the key properties of N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 929.03 g/mol, XLogP of 9.26, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[6-methylsulfonyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 158413982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).